SCHEMBL1790359

SCHEMBL1790359

NC(c1nc(OC2CCOC2)c2nc(-c3ccc(F)cc3)ccc2n1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GAK O14976 1/20 0.33
MAPK1 P28482 3/20 0.32
PDE5A O76074 1/20 0.31
LRRK2 Q5S007 2/20 0.31
GRM4 Q14833 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
MTOR P42345 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
SGK1 O00141 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13500401 0.83 HDAC1 (0.39) MAP4K4HDAC1HDAC2GAKPDE5A
SCHEMBL3605007 0.83 HDAC1 (0.39) MAP4K4HDAC1HDAC2GAKPDE5A
SCHEMBL3609814 0.83 HDAC1 (0.39) MAP4K4HDAC1HDAC2GAKPDE5A
SCHEMBL5115990 0.79 KDM4E (0.36) MAP4K4HDAC1HDAC2GAKMAPK1
SCHEMBL14131361 0.79 KDM4E (0.36) MAP4K4HDAC1HDAC2GAKMAPK1
SCHEMBL14131708 0.79 MAP4K4 (0.38) MAP4K4HDAC1HDAC2PDE5ALRRK2
SCHEMBL1790471 0.79 MAP4K4 (0.38) MAP4K4HDAC1HDAC2PDE5ALRRK2
SCHEMBL3612774 0.77 HDAC1 (0.43) MAP4K4HDAC1HDAC2GAKPDE5A
SCHEMBL4421609 0.74 MTOR (0.38) MAP4K4LRRK2GRM4CYP3A4MTOR
SCHEMBL4423840 0.72 ALOX5AP (0.38) MAP4K4HDAC1HDAC2LRRK2GRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD MAP4K4 1181/4885HDAC1 2532/4885HDAC2 2003/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.